Tetra(4-methoxyanilinium) hexachlorostannnate (IV), dichloride: Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, thermal properties and third-harmonic generation measurement of nonlinear optical susceptibility

Abstract New hybrid organic–inorganic material has been obtained at room temperature by the reaction of tin chloride with 4-methoxyaniline in acidified water: tetra(4-methoxyanilinium) hexachlorostannnate (IV), dichloride ([SnCl6]2−, 4(C7H10NO)+, 2Cl−), (I). Synthesized compound has been fully characterized by single-crystal X-ray diffraction, FTIR and UV–visible absorption spectroscopy studies, TGA/DTA and SEM/EDS analyses. Crystal structure of (I) was determined by single-crystal X-ray diffraction analysis. The structure is governed by charge assisted N+–H•••Cl cation–anion hydrogen bonds that permit alternation between organic/inorganic layers. The intermolecular interactions were investigated using Hirshfeld surface analysis. The thermal behavior of (I) was also discussed using TGA/DTA which showed the thermal stability of the compound upto 190°C. The DFT calculations have been performed by using the B3LYP method at the LANL2DZ level. For the new hybrid compound, we have also measured the value of the electronic part of third-order nonlinear optical susceptibility χ 3 using third harmonic generation (THG) method at 1064 nm.